# generated using pymatgen
data_LiTi4Mn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63910141
_cell_length_b   8.63910141
_cell_length_c   8.63910155
_cell_angle_alpha   60.14057012
_cell_angle_beta   60.14057012
_cell_angle_gamma   60.14056592
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi4Mn(PO4)6
_chemical_formula_sum   'Li1 Ti4 Mn1 P6 O24'
_cell_volume   457.37393629
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50000000  0.50000000  0.50000000  1
  Ti  Ti1  1  0.85469900  0.85469900  0.85469900  1
  Ti  Ti2  1  0.64195700  0.64195700  0.64195700  1
  Ti  Ti3  1  0.35804300  0.35804300  0.35804300  1
  Ti  Ti4  1  0.14530100  0.14530100  0.14530100  1
  Mn  Mn5  1  0.00000000  0.00000000  0.00000000  1
  P  P6  1  0.95848300  0.25128200  0.54260500  1
  P  P7  1  0.54260500  0.95848300  0.25128200  1
  P  P8  1  0.25128200  0.54260500  0.95848300  1
  P  P9  1  0.74871800  0.45739500  0.04151700  1
  P  P10  1  0.45739500  0.04151700  0.74871800  1
  P  P11  1  0.04151700  0.74871800  0.45739500  1
  O  O12  1  0.87695400  0.69309300  0.49994500  1
  O  O13  1  0.69309300  0.49994500  0.87695400  1
  O  O14  1  0.94402800  0.08528600  0.73460900  1
  O  O15  1  0.49994500  0.87695400  0.69309300  1
  O  O16  1  0.99885400  0.19154200  0.38099300  1
  O  O17  1  0.76810900  0.41489700  0.55938900  1
  O  O18  1  0.73460900  0.94402800  0.08528600  1
  O  O19  1  0.55938900  0.76810900  0.41489700  1
  O  O20  1  0.80845800  0.61900700  0.00114600  1
  O  O21  1  0.41489700  0.55938900  0.76810900  1
  O  O22  1  0.91471400  0.26539100  0.05597200  1
  O  O23  1  0.61900700  0.00114600  0.80845800  1
  O  O24  1  0.38099300  0.99885400  0.19154200  1
  O  O25  1  0.08528600  0.73460900  0.94402800  1
  O  O26  1  0.58510300  0.44061100  0.23189100  1
  O  O27  1  0.19154200  0.38099300  0.99885400  1
  O  O28  1  0.44061100  0.23189100  0.58510300  1
  O  O29  1  0.26539100  0.05597200  0.91471400  1
  O  O30  1  0.23189100  0.58510300  0.44061100  1
  O  O31  1  0.00114600  0.80845800  0.61900700  1
  O  O32  1  0.50005500  0.12304600  0.30690700  1
  O  O33  1  0.05597200  0.91471400  0.26539100  1
  O  O34  1  0.30690700  0.50005500  0.12304600  1
  O  O35  1  0.12304600  0.30690700  0.50005500  1
